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Receptor
PDB id Resolution Class Description Source Keywords
3WF6 2.03 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF S6K1 KINASE DOMAIN IN COMPLEX WITH A PYRAZOLOPYRIMIDINE DERIVATIVE 4-[4-(1H-INDOL-3-YL)-3,6- D IHYDROPYRIDIN-1(2H)-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDINE HOMO SAPIENS SERINE/THREONINE PROTEIN KINASE DOMAIN TRANSFERASE PHOSPHOATP-BINDING ZINC-BINDING TRANSFERASE-TRANSFERASE INHIBITO
Ref.: CRYSTAL STRUCTURES OF THE S6K1 KINASE DOMAIN IN COM WITH INHIBITORS J.STRUCT.FUNCT.GENOM. V. 15 153 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
FZ9 A:402;
Valid;
none;
ic50 = 33 nM
316.36 C18 H16 N6 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L3L 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURES OF HUMAN P70S6K1 KINASE DOMAIN (ZINC ANOM HOMO SAPIENS PROTEIN KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF S6K1 PROVIDE INSIGHTS INTO TH REGULATION MECHANISM OF S6K1 BY THE HYDROPHOBIC MOT BIOCHEM.J. V. 454 39 2013
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
2 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
3 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
4 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
5 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
6 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
7 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
8 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
9 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 2Z7S - P01 C19 H25 Cl N6 O CC(C)[C@H]....
2 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
3 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
4 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
5 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
6 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
8 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
9 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
10 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
11 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
12 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
13 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
14 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
15 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
16 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
17 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
50% Homology Family (420)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3IGO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3NCG - BK1 C19 H19 N5 CC(C)n1c2c....
3 3MWU - BK3 C22 H24 N6 c1ccc2c(c1....
4 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
5 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
6 6FCK ic50 = 0.031 uM D4Z C20 H22 N4 O c1ccc(cc1)....
7 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
8 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
9 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
10 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
11 5OQ7 ic50 = 0.8743 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
12 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
13 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
14 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
15 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
16 5OP5 ic50 = 0.4964 uM 3FE C17 H15 N5 O c1cc(cc(c1....
17 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
18 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
19 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
20 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
21 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
22 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
23 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
24 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
25 5OP7 - A1K C19 H21 Cl N6 O3 CNc1c2c(c[....
26 5OOP - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
27 5OPR ic50 = 5.8506 uM A3E C21 H26 N6 O CC(C)n1cc(....
28 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
29 5OQ5 ic50 = 0.052 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
30 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
31 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
32 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
33 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
34 5OQ8 ic50 = 4.0577 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
35 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
36 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
37 5OPS ic50 = 1.9827 uM A3Q C14 H9 N3 O c1cc(cc(c1....
38 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
39 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
40 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
41 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
42 5OP2 ic50 = 0.5543 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
43 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
44 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
45 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
46 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
47 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
48 5OOR - STU C28 H26 N4 O3 C[C@@]12[C....
49 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
50 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
51 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
52 6FC8 ic50 = 0.012 uM D4Q C19 H19 F N4 O S c1cc(cc(c1....
53 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
54 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
55 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
56 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
57 6GUH Kd = 26 nM FB8 C18 H21 N5 O2 S Cc1ncc(n1C....
58 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
59 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
60 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
61 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
62 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
63 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
64 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
65 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
66 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
67 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
68 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
69 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
70 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
71 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
72 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
73 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
74 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
75 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
76 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
77 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
78 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
79 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
80 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
81 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
82 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
83 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
84 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
85 5MHQ - 8QT C19 H27 N7 O CC[C@@H]([....
86 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
87 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
88 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
89 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
90 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
91 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
92 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
93 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
94 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
95 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
96 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
97 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
98 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
99 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
100 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
101 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
102 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
103 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
104 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
105 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
106 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
107 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
108 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
109 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
110 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
111 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
112 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
113 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
114 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
115 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
116 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
117 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
118 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
119 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
120 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
121 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
122 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
123 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
124 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
125 1H08 - BYP BWP n/a n/a
126 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
127 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
128 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
129 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
130 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
131 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
132 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
133 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
134 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
135 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
136 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
137 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
138 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
139 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
140 6GUK Kd = 725 nM FC8 C19 H24 Cl N7 CCn1cnc2c1....
141 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
142 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
143 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
144 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
145 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
146 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
147 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
148 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
149 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
150 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
151 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
152 5XVG Ki = 0.009 uM 8FX C20 H22 Cl N7 O C[C@@H]1CN....
153 2ZV2 - 609 C19 H10 N2 O3 c1ccc2c(c1....
154 4ONA ic50 = 0.002 uM UW1 C19 H23 N5 O2 CCOc1ccc2c....
155 4JBV ic50 = 0.003 uM V68 C26 H32 N6 O CC(C)COc1c....
156 3NYV - DTQ C16 H15 N3 O3 COc1cc2c(c....
157 3T3U Ki = 0.0025 uM BK6 C22 H24 N6 O COc1ccc2cc....
158 3KU2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
159 4M84 ic50 = 0.049 uM 21E C17 H19 N5 O CC(C)(C)n1....
160 3HX4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
161 3UPX Ki = 0.0075 uM B6A C20 H22 N4 O c1ccc(cc1)....
162 3SXF Ki = 0.0025 uM BK5 C20 H21 N5 O CCOc1ccc2c....
163 3T3V Ki = 0.003 uM BK4 C19 H19 N5 O CC(C)n1c2c....
164 3I7B ic50 = 0.066 uM BK1 C19 H19 N5 CC(C)n1c2c....
165 3V5P Ki = 0.011 uM C88 C19 H24 N6 O Cc1cc(ccc1....
166 3V51 - I76 C25 H22 Cl N5 O CC(C)n1c2c....
167 3UPZ - B5A C11 H16 N6 c1c2c(ncnc....
168 3I7C ic50 = 0.018 uM BK2 C19 H19 N5 CC(C)(C)n1....
169 3V5T - UW9 C24 H30 N6 O CCOc1ccc2c....
170 3N51 - BK3 C22 H24 N6 c1ccc2c(c1....
171 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
172 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
173 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
174 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
175 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
176 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
177 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
178 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
179 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
180 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
181 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
182 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
183 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
184 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
185 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
186 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
187 5N9N Ki = 0.4 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
188 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
189 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
190 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
191 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
192 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
193 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
194 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
195 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
196 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
197 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
198 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
199 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
200 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
201 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
202 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
203 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
204 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
205 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
206 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
207 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
208 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
209 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
210 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
211 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
212 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
213 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
214 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
215 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
216 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
217 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
218 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
219 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
220 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
221 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
222 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
223 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
224 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
225 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
226 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
227 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
228 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
229 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
230 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
231 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
232 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
234 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
235 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
236 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
237 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
238 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
239 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
240 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
241 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
242 5ORO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
243 5OS4 Kd = 1665 uM A8H C14 H15 N O2 c1ccc(cc1)....
244 6HJJ ic50 = 1.7 uM G7T C26 H24 F4 N6 O2 Cc1cc(ccc1....
245 5ORS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
246 5ORL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
247 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
248 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
249 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
250 5ORP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
251 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
252 5OSE Kd = 681 uM A98 C6 H9 N3 O2 S2 CCSc1nnc(s....
253 5DNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
254 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
255 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
256 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
257 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
258 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
259 5ORX ic50 = 308 uM A6H C11 H8 Cl2 N2 O c1cc(c(c(c....
260 5ORN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
261 5OS5 ic50 = 108 uM A8K C12 H10 O2 S c1cc(ccc1O....
262 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
263 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
264 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
265 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
266 5OSD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
267 5OS2 Kd = 1821 uM A7K C13 H21 N2 O c1ccc(c(c1....
268 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
269 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
270 5ORR ic50 = 899 uM A5Q C9 H6 F3 N3 S c1cc(ccc1c....
271 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
272 5OS3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
274 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
275 5ORZ ic50 = 245 uM A6W C10 H9 N O2 S2 COC(=O)c1c....
276 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
277 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
278 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
279 6HJK ic50 = 25 nM G7W C25 H20 F4 N6 O2 CC(C)n1c2c....
280 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
281 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
282 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
283 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
284 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
285 5ORW Kd = 796 uM A6E C13 H16 F N O2 S c1cc(ccc1O....
286 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
287 5OS0 Kd = 2792 uM A6Z C12 H15 Cl N3 c1cc(cc(c1....
288 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
289 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
290 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
291 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
292 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
293 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
294 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
295 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
296 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
297 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
298 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
299 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
300 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
301 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
302 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
303 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
304 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
305 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
306 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
307 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
308 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
309 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
310 5AUW ic50 = 8.9 uM QUE C15 H10 O7 c1cc(c(cc1....
311 5AV2 - KMP C15 H10 O6 c1cc(ccc1C....
312 5AUU ic50 = 21 uM LU2 C15 H10 O6 c1cc(c(cc1....
313 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
314 5AV3 - KMP C15 H10 O6 c1cc(ccc1C....
315 5AUT Kd = 6.7 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
316 5AV0 ic50 = 280 uM 47X C15 H10 O5 c1cc(c(cc1....
317 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
318 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
319 5AV4 - GEN C15 H10 O5 c1cc(ccc1C....
320 5AUX ic50 = 10 uM KMP C15 H10 O6 c1cc(ccc1C....
321 5AUV ic50 = 31 uM AGI C15 H10 O5 c1cc(ccc1C....
322 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
323 2W5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
324 5M55 ic50 = 0.24 uM 7GG C17 H20 N6 CCN(CC)/C=....
325 2XNM ic50 = 0.16 uM WGZ C27 H27 F3 N4 O3 S C[C@H](c1c....
326 2XKF ic50 = 0.87 uM BX1 C19 H24 N4 O5 COc1cc(cc(....
327 2JAV ic50 ~ 8 uM 5Z5 C17 H16 Cl N3 O2 Cc1c([nH]c....
328 5M53 ic50 = 0.62 uM 7GJ C21 H26 N6 O2 CN(C)C(=O)....
329 2XK8 ic50 = 2.4 uM 5R1 C21 H21 N3 O6 COc1cc(ccc....
330 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
331 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
332 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
333 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
334 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
335 5HKM ic50 = 0.013 uM 61Y C16 H15 N7 CCc1cc(nc(....
336 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
337 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
338 5LVN Kd = 20 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
339 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
340 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
341 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
342 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
343 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
344 5LVL Kd = 1.25 uM 537 C14 H8 N2 O c1ccc2c(c1....
345 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
346 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
347 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
348 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
349 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
350 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
351 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
352 4QNA ic50 = 0.023 uM X11 C9 H9 N5 O c1ccc(c(c1....
353 4QMO ic50 = 0.019 uM 34L C13 H8 N4 O S c1cc2c(c3c....
354 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
355 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
356 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
357 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
358 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
359 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
360 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
361 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
362 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
363 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
364 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
365 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
366 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
367 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
368 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
369 3HZT - J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
370 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
371 5L2S - 6ZV C27 H32 F2 N8 CCN1CCN(CC....
372 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
373 5K00 ic50 = 7.1 nM 6PV C32 H34 N6 O4 COc1cccc(c....
374 5MAG - 7KC C25 H30 N8 O S Cc1nc2ccsc....
375 5IHC ic50 = 0.013 uM 6BB C20 H21 F N4 O c1ccc(c(c1....
376 6BUU - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
377 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
378 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
379 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
380 3C0G - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
381 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
382 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
383 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
384 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
385 5ONI - 9YE C23 H25 N O3 CC(C)n1c2c....
386 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
387 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
388 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
389 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
390 6B16 Ki = 32 nM C7Y C19 H20 N8 C[C@@H](c1....
391 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
392 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
393 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
394 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
395 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
396 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
397 5JZJ - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
398 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
399 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
400 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
401 4MWH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
402 4LFI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
403 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
404 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
405 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
406 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
407 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
408 3M2W ic50 < 0.003 uM L8I C23 H21 F N4 O CN1CC2(C1)....
409 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
410 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
411 5VJA - DUK C14 H12 Cl N5 O2 S C[C@H](C(=....
412 5A6N ic50 = 2.1 uM U7E C7 H7 N5 O2 S c1cc(cc(c1....
413 6CMJ ic50 = 5 nM F6J C24 H22 N2 O2 CC(C)Cc1cc....
414 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
415 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
416 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
417 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
418 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
419 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
420 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FZ9; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FZ9 1 1
2 FZ8 0.410526 0.903846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L3L; Ligand: 5FI; Similar sites found with APoc: 509
This union binding pocket(no: 1) in the query (biounit: 4l3l.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2VSL MAA LYS PRO PHE None
2 3CM2 X23 None
3 6HDT BTN None
4 5C2N NAG None
5 6CS9 PIO None
6 3X01 AMP 1.31579
7 2AQX ATP 1.38408
8 2PUL ACP 1.64474
9 5OES ADP 1.64474
10 3TII ANP 1.64474
11 4UWH JXM 1.64474
12 4CC6 L5Y 1.64474
13 1OHE ACE ALA SEP PRO 1.64474
14 2BMB PMM 1.64474
15 5EXK 5AD 1.81269
16 1VDN ACE ALA ALA PRO ALA MCM 1.85185
17 2C94 TSF 1.875
18 1W2D ADP 1.88679
19 1W2D 4IP 1.88679
20 4DDY DN6 1.90114
21 5F6U 5VK 1.91083
22 2E0N SAH 1.9305
23 2VQD AP2 1.93966
24 2IF8 ADP 1.97368
25 4MOB ADP 1.97368
26 3DNT ATP 1.97368
27 1Y42 TYR 1.97368
28 1OFZ FUC 1.97368
29 5JJU AMP 1.97368
30 2RDE C2E 1.99203
31 4GQP B40 2.00803
32 5A96 GTP 2.00803
33 4ZGP ADP 2.04778
34 2JE7 XMM 2.09205
35 1MVQ MMA 2.11864
36 3KYG 5GP 5GP 2.20264
37 3EW2 BTN 2.22222
38 5NM7 GLY 2.25564
39 5ZCT ANP 2.30263
40 1EHI ADP 2.30263
41 5TDF ADP 2.30263
42 5H9Y BGC BGC BGC BGC BGC 2.30263
43 3W0O HY0 2.30263
44 3W0O ADP 2.30263
45 2Z3U CRR 2.30263
46 2ZTG A5A 2.30263
47 5EO8 TFU 2.30263
48 4XFR CIT 2.34192
49 4FE2 AIR 2.35294
50 4FE2 ADP 2.35294
51 3ACL 3F1 2.36486
52 3QXV MTX 2.38095
53 3RGA LSB 2.4735
54 2FMD MAN MAN 2.5
55 2QX0 PH2 2.51572
56 2QHS OCA 2.53165
57 1QH9 LAC 2.58621
58 4JNJ BTN 2.6087
59 3I0O ADP 2.63158
60 1GSA ADP 2.63158
61 4PZ6 GMP 2.63158
62 6CGD GNP 2.63158
63 6CGD AKN 2.63158
64 1I7L ATP 2.63158
65 2XZ9 PYR 2.63158
66 3ORQ ADP 2.63158
67 6F5W KG1 2.63158
68 4NZF ARB 2.63158
69 5OLK DTP 2.63158
70 4WCX MET 2.63158
71 4OPC FDA 2.63158
72 4OPC PGT 2.63158
73 5TZO 7V7 2.65957
74 1NWW HPN 2.68456
75 5LHT TIH 2.72109
76 5DYO FLU 2.83019
77 3KIF GDL 2.83019
78 5FS0 5JC 2.8436
79 2QHV OC9 2.85714
80 6EWZ GTP 2.95359
81 4NFE BEN 2.95359
82 1SDW IYT 2.96053
83 5DZT AMP 2.96053
84 2CFM AMP 2.96053
85 4ZS4 ATP 2.96053
86 4NZN ANP 2.96053
87 4NZN 2OU 2.96053
88 3LXI CAM 2.96053
89 2QS8 MET 2.96053
90 1T36 ADP 2.96053
91 4NS0 PIO 3.00752
92 3K56 IS3 3.00752
93 3KYF 5GP 5GP 3.0303
94 5LN8 GAL 3.05344
95 3BP1 GUN 3.10345
96 1CBK ROI 3.125
97 4ZTD ALA GLY ALA GLY ALA 3.16206
98 3VPD ANP 3.20285
99 2YKL NLD 3.24074
100 3PDT ADP 3.27273
101 5KJW 53C 3.28947
102 3K5I ADP 3.28947
103 2FB3 MET 3.28947
104 5W75 SUC 3.28947
105 1F9V ADP 3.28947
106 2FB3 5AD 3.28947
107 4PU5 ANP 3.28947
108 4D52 GIV 3.28947
109 1A5Z FBP 3.28947
110 4D52 GXL 3.28947
111 4KFU ACP 3.30189
112 6FTB M0E 3.33333
113 5CLO NS8 3.38983
114 4GGZ BTN 3.47826
115 2ET1 GLV 3.48259
116 1ZTH ADP 3.48837
117 1ZP9 ATP 3.48837
118 6E8I PTR 3.5503
119 5HV7 RBL 3.61842
120 3NKS ACJ 3.61842
121 2IVD ACJ 3.61842
122 1PK8 ATP 3.61842
123 1AUX AGS 3.61842
124 6EZ6 C5Z 3.61842
125 2V58 LZJ 3.61842
126 5AE9 OKO 3.61842
127 5L2R MLA 3.61842
128 1IOW PHY 3.61842
129 1IOW ADP 3.61842
130 3MI3 LYS 3.61842
131 1RYD GLC 3.61842
132 4PYW ACE THR THR ALA ILE NH2 3.61842
133 5VZ0 ADP 3.61842
134 3TY5 ATP 3.61842
135 4QAC KK3 3.68664
136 2AGC DAO 3.7037
137 4M7T SAM 3.7037
138 1FWV SGA MAG FUC 3.73134
139 3SAO DBH 3.75
140 3NOJ PYR 3.78151
141 4XMF HSM 3.80435
142 3ZJX BOG 3.80623
143 1TL2 NDG 3.81356
144 4M6T SAM 3.82514
145 4RKX 3S9 3.83142
146 2BQP GLC 3.84615
147 1S17 GNR 3.88889
148 4Y24 TD2 3.8961
149 2YRX AMP 3.94737
150 5C1P ADP 3.94737
151 4RF7 ARG 3.94737
152 1OFL NGK GCD 3.94737
153 5C1P DAL DAL 3.94737
154 5JBE MAL 3.94737
155 1G51 AMP 3.94737
156 2Q7D ANP 3.94737
157 5DEQ ARA 3.94737
158 3P9T TCL 4.10959
159 5O3Q CMP 4.16667
160 2FT0 ACO 4.25532
161 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 4.25532
162 4R78 AMP 4.27632
163 4OCV ANP 4.27632
164 4OYA 1VE 4.27632
165 3OCP CMP 4.31655
166 4GC1 MAN MAN 4.34783
167 1UI0 URA 4.39024
168 2ZL7 FUC GAL NGA 4.40678
169 2OJW ADP 4.42708
170 6GNO XDI 4.44444
171 3CBC DBS 4.54545
172 1E4E ADP 4.60526
173 2YW2 ATP 4.60526
174 4OCJ NDG 4.60526
175 3ETH ATP 4.60526
176 3V4S ATP 4.60526
177 5OQW A4E 4.72441
178 3O94 NCA 4.73934
179 4XYM A12 4.78261
180 4XZ3 ACP 4.78261
181 3CF6 SP1 4.79042
182 5EJL C2E 4.83871
183 1F5F DHT 4.87805
184 3T2W BTN 4.91803
185 1NXJ TLA 4.91803
186 5YK1 ANP 4.93421
187 2PYW ADP 4.93421
188 1M0W ANP 4.93421
189 1OBD ATP 4.93421
190 3PN1 IVH 4.93421
191 4GLW 0XT 4.93421
192 2Z49 AMG 4.93421
193 5IM3 DTP 4.93421
194 4WOE ADP 4.93421
195 3HQP OXL 4.93421
196 1HXD BTN 4.93421
197 4WOE 3S5 4.93421
198 2Z48 A2G 4.93421
199 2CJU PHX 4.95868
200 2ZSC BTN 4.96454
201 3HAV ATP 5.01672
202 2J9D ADP 5.04202
203 2J9C ATP 5.04202
204 3WG3 A2G GAL NAG FUC 5.05618
205 4RYV ZEA 5.16129
206 4O4F ATP 5.24194
207 4O4F IHP 5.24194
208 3UDZ ADP 5.26316
209 4U98 ACP 5.26316
210 6FL8 ADP 5.26316
211 6FL8 TIY 5.26316
212 3C3D FO1 5.26316
213 5FCF GLY GLY GLY 5.26316
214 5L83 ASP TRP GLU ILE VAL 5.35714
215 5K2M ADP 5.49451
216 5MRH Q9Z 5.59211
217 4BTV RB3 5.59211
218 2QPU QPS 5.59211
219 2QPU QPU 5.59211
220 1KDK DHT 5.64972
221 3VPC ADP 5.67376
222 3VPB ADP 5.67376
223 5J75 6GQ 5.68182
224 3NZ1 3NY 5.74713
225 1T0S BML 5.81395
226 1TZD ADP 5.81818
227 5SVV FMN 5.83942
228 3WVR AMP 5.92105
229 5VLQ ANP 5.92105
230 2IO8 ADP 5.92105
231 3EFS BTN 6.00858
232 1TOQ AMG 6.01504
233 1S68 AMP 6.0241
234 6APF CIT 6.04982
235 1UYY BGC BGC 6.10687
236 5W10 CMP 6.15385
237 5GZ9 ANP 6.25
238 4RT1 C2E 6.25
239 4DFU QUE 6.25
240 2JIG PD2 6.25
241 4GYI ADP 6.25
242 5C4L 4XR 6.25
243 5C4L SIS 6.25
244 5CIC 51R 6.48148
245 2QK4 ATP 6.57895
246 1LSH PLD 6.57895
247 5WS9 OXL 6.57895
248 3VOT ADP 6.57895
249 3BOF HCS 6.57895
250 2IU8 PLM 6.57895
251 3UW5 MAA CHG PRO 0DQ 6.89655
252 6C1S EFV 6.90789
253 3TDV GDP 6.90789
254 5GWE GWM 6.90789
255 5HV0 AKG 6.91244
256 4XTX 590 7.03704
257 1Y7P RIP 7.17489
258 2CFC KPC 7.2
259 4RDL FUC GAL NDG FUC 7.23684
260 6EAC ANP 7.23684
261 2VPQ ANP 7.23684
262 3NEM ATP 7.23684
263 1Z2P ACP 7.23684
264 1Z2P I3S 7.23684
265 1ULE GLA GAL NAG 7.33333
266 1VKF CIT 7.44681
267 1I7M CG 7.46269
268 2G30 ALA ALA PHE 7.56579
269 5MW8 ATP 7.56579
270 4IP7 FLC 7.56579
271 5FUI APY 7.57576
272 5M6N 7H9 7.62712
273 1TQP ATP 7.80142
274 4MTI 2DX 7.82609
275 4CYI ATP 7.89474
276 5EQY 5RA 7.89474
277 4OAV ACP 7.89474
278 2HGS ADP 7.89474
279 5TVF CGQ 7.89474
280 3AB4 THR 7.89474
281 3ZW2 NAG GAL FUC 8.04598
282 6M7X JD7 8.05785
283 2XG5 EC2 8.09249
284 2XG5 EC5 8.09249
285 3R51 MMA 8.125
286 5DXT 5H5 8.22368
287 5T96 79J 8.22368
288 2VL1 GLY GLY 8.55263
289 4IX4 ADP 8.55263
290 5COU ATP 8.55263
291 3UW4 MAA CHG PRO 0DQ 8.69565
292 1N8V BDD 8.92857
293 4GN8 ASO 9.0301
294 1Q3P GLU ALA GLN THR ARG LEU 9.17431
295 5L8N 6RQ 9.375
296 2BKK ADP 9.4697
297 3TM0 ANP 9.5057
298 3TM0 B31 9.5057
299 5OCG 9R5 9.52381
300 5Y4R C2E 9.65517
301 4O1P ANP 9.86842
302 5ODY 9SK 10.1449
303 1SWG BTN 10.1562
304 3PGU OLA 10.1974
305 6FA4 D1W 10.4046
306 2VQ5 HBA 10.4478
307 5XLY C2E 10.5263
308 4Q5H ANP 10.5263
309 6E2B PT7 10.5263
310 1IA9 ANP 11.0714
311 1GPM AMP 11.1842
312 4K55 H6P 11.2903
313 1LES GLC FRU 11.5385
314 5GLT BGC GAL NAG GAL 11.6197
315 2W5P CL8 12.0805
316 4WN5 MVC 12.1739
317 4WW7 AMP 12.2995
318 4AZW ATP 12.5
319 5CKW ANP 12.5
320 3LQV ADE 13.0435
321 4USI ATP 13.6364
322 1P6O HPY 13.6646
323 5YJS SAL 14.4737
324 1VRP ADP 14.4737
325 1KJ8 GAR 14.4737
326 1KJ8 ATP 14.4737
327 2CSN CKI 15.1515
328 5LXT ACP 16.0839
329 1V3S ATP 16.3793
330 2GQR ADP 16.8776
331 2GQS C2R 18.5654
332 2GQS ADP 18.5654
333 4KBA 1QM 18.75
334 5OKT 9XK 18.75
335 4KU7 PCG 18.9542
336 5I35 ANP 19.4079
337 4B1L FRU 20
338 3H0L ADP 20.0658
339 5MY8 RXZ 22.0395
340 3IWD M2T 22.0588
341 3VHE 42Q 22.6974
342 5C03 AGS 22.6974
343 4WOV 3SM 22.6974
344 5VC5 96M 22.8374
345 5KO1 6UY 23.6749
346 4YZC STU 29.2763
347 3LXN MI1 30.2632
348 3UIM ANP 30.2632
349 4BTK DTQ 30.5921
350 5LPZ ADP 30.9211
351 2QLU ADE 31.25
352 5HES 032 31.25
353 6ES0 BW8 31.25
354 4GJ3 0XP 31.457
355 5WO4 B7V 31.457
356 5LPB ADP 31.7568
357 5JGA 6KC 32.2368
358 4RFM 3P6 32.3308
359 4P5Z Q7M 32.5658
360 4E1Z 0MX 32.646
361 5NKB 8ZT 32.8947
362 6C7Y ADP 33.2168
363 3PLS ANP 33.2215
364 5T8O 76Z 33.2237
365 4E93 GUI 33.5526
366 5USZ SKE 33.564
367 4CRL C1I 33.8816
368 4Y85 499 33.8816
369 4CLI 5P8 34.2105
370 5AWM ANP 34.2105
371 3C1X CKK 34.2105
372 5X8I SQZ 34.5395
373 3RI1 3RH 34.5395
374 5EOB 5QQ 34.5395
375 2PVF ACP 34.5395
376 3TTI KBI 34.5395
377 3PTG 932 34.5395
378 6G33 5ID 34.5395
379 4WHZ 3NL 34.5395
380 6FYV 3NG 34.8684
381 4XH0 ADP 34.8684
382 4K33 ACP 34.8684
383 5QIN J2V 34.8684
384 4UXL 5P8 34.8684
385 6GWR FEW 34.8684
386 5TO8 7FM 35.1064
387 5ZTN CUR 35.1974
388 5WNL STU 35.1974
389 3KRL KRL 35.1974
390 2XVD AS6 35.4305
391 2WU6 DKI 35.5263
392 5U6C 7YS 35.5263
393 2X2M X2M 35.5263
394 3GQI ACP 35.8553
395 3LXK MI1 36.0856
396 3KMW ATP 36.1624
397 5JFS 6K0 36.1842
398 3NW7 LGV 36.1842
399 4Y93 746 36.1842
400 1OUK 084 36.5132
401 5EFQ ADP 36.5132
402 4LOO SB4 36.5132
403 2A19 ANP 36.6197
404 4EWH T77 36.7273
405 2Y6O 1N1 36.7698
406 1K3A ACP 36.7893
407 4NST ADP 36.8421
408 3GC8 B45 36.8421
409 5CEO 50D 37.3333
410 4U0I 0LI 37.8289
411 5FBN 5WF 38.0074
412 1JPA ANP 38.1579
413 3EKK GS2 38.1579
414 1IR3 ANP 38.1579
415 4YMJ 4EJ 38.1579
416 4AG8 AXI 38.4868
417 3ALN ANP 38.4868
418 4ASE AV9 38.4868
419 3PP0 03Q 38.4868
420 1U59 STU 38.676
421 5HCY 60D 38.8158
422 6GQM F8H 38.8158
423 1O9U ADZ 39.1447
424 3F7Z 34O 39.1447
425 4FL3 ANP 39.1447
426 1Y57 MPZ 39.1447
427 3ZRM ZRM 39.1447
428 1OPK P16 39.1447
429 3VRY B43 39.1447
430 2H8H H8H 39.1447
431 2OO8 RAJ 39.1447
432 4FF8 14S 39.1447
433 5UR1 YY9 39.4737
434 5Y86 HRM 39.4737
435 4IDT T28 39.4737
436 5HQ0 LZ9 39.7351
437 6GU6 1QK 39.7351
438 5JKG 6LF 39.8026
439 3BU5 ATP 40
440 2JLD AG1 40.1316
441 4QMN DB8 40.1316
442 4NM5 ADP 40.1316
443 4AT3 LTI 40.1338
444 6A1G 9OL 40.4605
445 5MJA 7O3 40.4605
446 3E7O 35F 40.7895
447 3H9R TAK 40.7895
448 6GIN IR2 41.196
449 1ZY5 ANP 41.2541
450 3SRV S19 41.5162
451 5H2U 1N1 41.573
452 1VJY 460 41.5842
453 3GC0 AMP 41.6413
454 1BYG STU 41.7266
455 6CZ3 FLJ 42.0455
456 4BHN BH9 42.1053
457 4F4P 0SB 42.1245
458 2F57 23D 42.4342
459 4I6H 1C8 42.4342
460 4AU8 Z3R 42.5676
461 2OFV 242 42.5993
462 3GNI ATP 42.7632
463 4CSV STI 42.9091
464 5N87 N66 43.0921
465 5TA6 79D 43.0921
466 3BZ3 YAM 43.1159
467 3O0G 3O0 43.1507
468 1UNH IXM 43.1507
469 2HK5 1BM 43.3333
470 6E2O S0L 43.3898
471 3HMO STU 43.4211
472 2V7O DRN 43.4211
473 2ZV2 609 43.6242
474 3SXS PP2 43.6567
475 6CMJ F6J 43.75
476 3FC2 IBI 43.75
477 4TWP AXI 43.9114
478 4ONA UW1 44.0789
479 3G5D 1N1 44.4056
480 5EKO N17 44.4079
481 6FYL 3NG 45.0658
482 3HZT J60 45.0658
483 4UX9 ANP 45.0658
484 4AUA 4AU 45.0658
485 4IZY 1J2 45.3947
486 4QTB 38Z 45.3947
487 2WEL K88 45.3947
488 1PHK ATP 45.6376
489 2VN9 GVD 45.8472
490 1CM8 ANP 46.0526
491 2VZ6 FEF 46.6454
492 2B9H ADP 47.0395
493 2B9I ADP 47.0395
494 2B9F ADP 47.0395
495 2B9J ADP 47.0395
496 4CFU 2WC 47.1947
497 6GUE FB8 47.351
498 2BPM 529 47.3684
499 4BCM T7Z 47.5083
500 4BCQ TJF 47.5083
501 4BCN T9N 47.6667
502 3SLS ANP 47.6974
503 5LMK 6ZK 48.1481
504 3E8N ATP 48.3553
505 3E8N VRA 48.3553
506 5BVE 4VG 48.6842
507 4FG8 ATP 49.3421
508 3IGO ANP 49.3421
509 5EH0 5NW 49.6124
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